N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide

C13H22N4OS — CID 120899494

IUPACN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(Cc2cnc(N)s2)C1
InChIInChI=1S/C13H22N4OS/c1-2-4-12(18)16-10-5-3-6-17(8-10)9-11-7-15-13(14)19-11/h7,10H,2-6,8-9H2,1H3,(H2,14,15)(H,16,18)
InChIKeyPBOIMEPMZNAYPR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.61
Rot. Bonds5

About N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide

N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide (PubChem CID 120899494) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide
PubChem CID120899494
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)NC1CCCN(Cc2cnc(N)s2)C1
InChIInChI=1S/C13H22N4OS/c1-2-4-12(18)16-10-5-3-6-17(8-10)9-11-7-15-13(14)19-11/h7,10H,2-6,8-9H2,1H3,(H2,14,15)(H,16,18)
InChIKeyPBOIMEPMZNAYPR-UHFFFAOYSA-N
XLogP1.61
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120905660
5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901310
5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772441
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-2-methylpentanamide
CID 165487235
5-[[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120900236
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide
CID 165475819
ethyl N-[1-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]carbamate
CID 84593468
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide?
The IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide (CID 120899494) is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide.
What is the SMILES notation for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide?
The canonical SMILES for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide is CCCC(=O)NC1CCCN(Cc2cnc(N)s2)C1.
What is the InChIKey of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide?
The InChIKey is PBOIMEPMZNAYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-2-4-12(18)16-10-5-3-6-17(8-10)9-11-7-15-13(14)19-11/h7,10H,2-6,8-9H2,1H3,(H2,14,15)(H,16,18).
What are the key properties of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide?
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide has a molecular weight of 282.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide is sourced from PubChem (CID 120899494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).